Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.53 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.51 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.51 |
| ▸ | F2 | P00734 | 1/20 | 0.51 |
| ▸ | F10 | P00742 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | F7 | P08709 | 1/20 | 0.51 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6692078 | 1.00 | NPC1 (0.55) | NPC1RAB9APKMPDCD1CD274 | |
| SCHEMBL6688705 | 0.88 | PDCD1 (0.48) | NPC1RAB9APKMPDCD1CD274 | |
| SCHEMBL6688703 | 0.88 | PDCD1 (0.48) | NPC1RAB9APKMPDCD1CD274 | |
| SCHEMBL6690290 | 0.86 | SMN1; SMN2 (0.46) | NPC1RAB9APKMPDCD1CD274 | |
| SCHEMBL6690288 | 0.86 | SMN1; SMN2 (0.46) | NPC1RAB9APKMPDCD1CD274 | |
| SCHEMBL8935445 | 0.82 | BCHE (0.55) | NPC1RAB9ABCHEGAAMAPT | |
| SCHEMBL3288931 | 0.82 | BCHE (0.55) | NPC1RAB9ABCHEGAAMAPT | |
| SCHEMBL3291152 | 0.82 | BCHE (0.55) | NPC1RAB9ABCHEGAAMAPT | |
| SCHEMBL31192449 | 0.77 | BCHE (0.57) | NPC1RAB9APKMBCHEALDH1A1 | |
| SCHEMBL6686899 | 0.77 | NPC1 (0.58) | NPC1RAB9APKMBCHEALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004087125-A1 | AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS | IONIX PHARMACEUTICALS LIMITED (GB) | 2004-10-14 | — | — | WO | disclosed |